Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1733
	Name:	pentabromophenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentabromophenol
	Labels:
	CAS:	608-71-9
	InChi Code:	InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
6.72	experimental value
7.1699	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID9022079	US EPA CompTox Dashboard